freud: A software suite for high throughput analysis of particle simulation data

V Ramasubramani, BD Dice, ES Harper… - Computer Physics …, 2020 - Elsevier
The freud Python package is a library for analyzing simulation data. Written with modern
simulation and data analysis workflows in mind, freud provides a Python interface to fast …

What do deep neural networks find in disordered structures of glasses?

N Oyama, S Koyama, T Kawasaki - Frontiers in Physics, 2023 - frontiersin.org
Glass transitions are widely observed in various types of soft matter systems. However, the
physical mechanism of these transitions remains elusive despite years of ambitious …

Targeted Discovery of Low-Coordinated Crystal Structures via Tunable Particle Interactions

H Pan, J Dshemuchadse - ACS nano, 2023 - ACS Publications
Particles interacting via isotropic, multiwell pair potentials have been shown to self-
assemble into a range of crystal structures, yet how the characteristics of the underlying …

Change point detection of events in molecular simulations using dupin

BL Butler, D Fijan, SC Glotzer - Computer Physics Communications, 2024 - Elsevier
Particle tracking is commonly used to study time-dependent behavior in many different types
of physical and chemical systems involving constituents that span many length scales …

Two-dimensional metal–organic framework self-assembly and defect engineering studied via coarse-grained simulations

RN Scott, CE Frank, MM Martirossyan… - Chemistry of …, 2023 - ACS Publications
Metal–organic frameworks (MOFs) are crystalline materials that self-assemble from
inorganic nodes and organic linkers, and isoreticular chemistry allows for modular and …

Particle-based simulations of electrophoretic deposition with adaptive physics models

JJ Karnes, AJ Pascall, C Rehbock, V Ramesh… - Computer Physics …, 2024 - Elsevier
This work represents an extension of mesoscale particle-based modeling of electrophoretic
deposition (EPD), which has relied exclusively on pairwise interparticle interactions …

Machine learning assisted exploration of patchy triangle systems

F Müller - 2024 - repositum.tuwien.at
The field of two-dimensional patchy particles opens up research for a wide range of
technical applications such as, but not limited to, membranes and surface layer applications …

On the Development of Tools for the Study of Colloidal Self-Assembly

B Butler - 2024 - deepblue.lib.umich.edu
Self-assembly is the process by which a material organizes itself without the need for
external stimuli. This process spans a broad range of phenomena, from the crystallization of …

[PDF][PDF] Estudio y análisis de estructuras cuasicristalinas mediante simulaciones moleculares

FAAC Cortés - 2023 - ru.dgb.unam.mx
En 1982 el científico israelí Dan Shechtman revolucionó la física del estado sólido al
descubrir un nuevo tipo de material llamado cuasicristal el cual cuenta con las propiedades …